zinc;iron(2+);tetranitrate

FeN4O12Zn — CID 160508413

IUPACzinc;iron(2+);tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].[Zn+2]
InChIInChI=1S/Fe.4NO3.Zn/c;4*2-1(3)4;/q+2;4*-1;+2
InChIKeyQSSLHVUCBVTLHY-UHFFFAOYSA-N
MW369.25 g/mol
LogP-0.96
Rot. Bonds

About zinc;iron(2+);tetranitrate

zinc;iron(2+);tetranitrate (PubChem CID 160508413) has the molecular formula FeN4O12Zn and a molecular weight of 369.25 g/mol. Its IUPAC name is zinc;iron(2+);tetranitrate.

Molecular Properties

Compound Namezinc;iron(2+);tetranitrate
PubChem CID160508413
Molecular FormulaFeN4O12Zn
Molecular Weight369.25 g/mol
Exact Mass367.82
IUPAC Namezinc;iron(2+);tetranitrate
SMILESO=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].[Zn+2]
InChIInChI=1S/Fe.4NO3.Zn/c;4*2-1(3)4;/q+2;4*-1;+2
InChIKeyQSSLHVUCBVTLHY-UHFFFAOYSA-N
XLogP-0.96
TPSA264.80 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.25
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

zinc dinitrate
CID 24518
sodium;iron(2+);trinitrate
CID 160556784
iron(2+);neodymium(3+);pentanitrate
CID 161062059
bismuth;cobalt(2+);iron(2+);heptanitrate
CID 131723207
technetium(7+) heptanitrate
CID 23031034
niobium(3+) trinitrate
CID 14693735
ruthenium(3+) nitrate
CID 21124620
tetrakis(lanthanum(3+));trinitrate
CID 19804472
platinum pentanitrate
CID 173027999
aluminum trinitrate
CID 26053
europium(3+) trinitrate
CID 24983
palladium(2+) nitrate
CID 15793330

Frequently Asked Questions

What is the IUPAC name of zinc;iron(2+);tetranitrate?
The IUPAC name of zinc;iron(2+);tetranitrate (CID 160508413) is zinc;iron(2+);tetranitrate.
What is the SMILES notation for zinc;iron(2+);tetranitrate?
The canonical SMILES for zinc;iron(2+);tetranitrate is O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Fe+2].[Zn+2].
What is the InChIKey of zinc;iron(2+);tetranitrate?
The InChIKey is QSSLHVUCBVTLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/Fe.4NO3.Zn/c;4*2-1(3)4;/q+2;4*-1;+2.
What are the key properties of zinc;iron(2+);tetranitrate?
zinc;iron(2+);tetranitrate has a molecular weight of 369.25 g/mol, XLogP of -0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;iron(2+);tetranitrate is sourced from PubChem (CID 160508413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).